{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.794206 0 0 ] [ 0 0 0.794206 ] [ 0 0.205794 0 ] [ 0 0 0.205794 ] [ 0 0.794206 0 ] [ 0.205794 0 0 ] [ 0.794206 0.5 0.5 ] [ 0 0.5 0.294206 ] [ 0 0.705794 0.5 ] [ 0 0.5 0.705794 ] [ 0 0.294206 0.5 ] [ 0.205794 0.5 0.5 ] [ 0.294206 0 0.5 ] [ 0.5 0 0.294206 ] [ 0.5 0.205794 0.5 ] [ 0.5 0 0.705794 ] [ 0.5 0.794206 0.5 ] [ 0.705794 0 0.5 ] [ 0.294206 0.5 0 ] [ 0.5 0.5 0.794206 ] [ 0.5 0.705794 0 ] [ 0.5 0.5 0.205794 ] [ 0.5 0.294206 0 ] [ 0.705794 0.5 0 ] [ 0.5 0.75 0.75 ] [ 0 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.25 0.25 ] [ 0.25 0 0.75 ] [ 0.25 0.75 0 ] [ 0.25 0 0.25 ] [ 0.5 0.25 0.25 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0 0.75 0.75 ] [ 0.25 0.5 0.25 ] [ 0.25 0.25 0.5 ] [ 0.25 0.5 0.75 ] [ 0 0.75 0.25 ] [ 0.5 0 0 ] [ 0.25 0.25 0 ] [ 0.5 0.25 0.75 ] [ 0.75 0 0.25 ] [ 0.75 0.75 0.5 ] [ 0.75 0 0.75 ] [ 0 0.25 0.75 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.75 0.25 ] [ 0.75 0.5 0.75 ] [ 0.75 0.25 0 ] [ 0.75 0.5 0.25 ] [ 0.668024 0.331976 0.168024 ] [ 0.381878 0.618122 0.618122 ] [ 0.881878 0.118122 0.381878 ] [ 0.668024 0.168024 0.331976 ] [ 0.831976 0.168024 0.168024 ] [ 0.381878 0.881878 0.881878 ] [ 0.118122 0.618122 0.881878 ] [ 0.331976 0.668024 0.831976 ] [ 0.618122 0.118122 0.118122 ] [ 0.618122 0.381878 0.381878 ] [ 0.881878 0.381878 0.118122 ] [ 0.168024 0.668024 0.668024 ] [ 0.118122 0.881878 0.618122 ] [ 0.168024 0.831976 0.831976 ] [ 0.831976 0.331976 0.331976 ] [ 0.331976 0.831976 0.668024 ] [ 0.668024 0.831976 0.668024 ] [ 0.381878 0.118122 0.118122 ] [ 0.881878 0.618122 0.881878 ] [ 0.668024 0.668024 0.831976 ] [ 0.831976 0.668024 0.668024 ] [ 0.381878 0.381878 0.381878 ] [ 0.118122 0.118122 0.381878 ] [ 0.331976 0.168024 0.331976 ] [ 0.618122 0.618122 0.618122 ] [ 0.618122 0.881878 0.881878 ] [ 0.881878 0.881878 0.618122 ] [ 0.168024 0.168024 0.168024 ] [ 0.118122 0.381878 0.118122 ] [ 0.168024 0.331976 0.331976 ] [ 0.831976 0.831976 0.831976 ] [ 0.331976 0.331976 0.168024 ] [ 0.168024 0.331976 0.668024 ] [ 0.881878 0.618122 0.118122 ] [ 0.381878 0.118122 0.881878 ] [ 0.168024 0.168024 0.831976 ] [ 0.331976 0.168024 0.668024 ] [ 0.881878 0.881878 0.381878 ] [ 0.618122 0.618122 0.381878 ] [ 0.831976 0.668024 0.331976 ] [ 0.118122 0.118122 0.618122 ] [ 0.118122 0.381878 0.881878 ] [ 0.381878 0.381878 0.618122 ] [ 0.668024 0.668024 0.168024 ] [ 0.618122 0.881878 0.118122 ] [ 0.668024 0.831976 0.331976 ] [ 0.331976 0.331976 0.831976 ] [ 0.831976 0.831976 0.168024 ] [ 0.168024 0.831976 0.168024 ] [ 0.881878 0.118122 0.618122 ] [ 0.381878 0.618122 0.381878 ] [ 0.168024 0.668024 0.331976 ] [ 0.331976 0.668024 0.168024 ] [ 0.881878 0.381878 0.881878 ] [ 0.618122 0.118122 0.881878 ] [ 0.831976 0.168024 0.831976 ] [ 0.118122 0.618122 0.118122 ] [ 0.118122 0.881878 0.381878 ] [ 0.381878 0.881878 0.118122 ] [ 0.668024 0.168024 0.668024 ] [ 0.618122 0.381878 0.618122 ] [ 0.668024 0.331976 0.831976 ] [ 0.331976 0.831976 0.331976 ] [ 0.831976 0.331976 0.668024 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 11.4069533945 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.338846567241379 "source-unit" "eV" } }